Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 5/20 | 0.40 |
| ▸ | GABRD | O14764 | 5/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7689297 | 0.89 | KDM4E (0.45) | ALDH1A1KDM4EMAPTATMGLA | |
| SCHEMBL7698081 | 0.89 | KDM4E (0.45) | ALDH1A1KDM4EMAPTATMGLA | |
| SCHEMBL7697062 | 0.89 | KDM4E (0.45) | ALDH1A1KDM4EMAPTATMGLA | |
| SCHEMBL4901435 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGLAAHR | |
| SCHEMBL7964357 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGLAAHR | |
| SCHEMBL7964358 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGLAAHR | |
| SCHEMBL3979545 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTGLAAHR | |
| SCHEMBL619267 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTGLATDP1 | |
| SCHEMBL29363243 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTGLATDP1 | |
| SCHEMBL2997257 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTGLATDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106045900-B | A kind of preparation method of phosphoric acid Carvedilol | 佛山市隆信医药科技有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-106045900-A | Preparation method of carvedilol phosphate hemihydrate | 佛山市隆信医药科技有限公司 | 2016-10-26 | — | — | CN | disclosed |